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	Accurate quantum reactive scattering studies of chemical reactions on ab initio potential energy surface; 基于从头算势能面的化学反应动力学的精确量子反应散射研究
	Zhang DH(张东辉)
	2007-07-08
会议名称	xxi conference on the dynamics of molecular collisions
会议日期	2007-7-8
会议地点	美国
其他题名	基于从头算势能面的化学反应动力学的精确量子反应散射研究
页码	4/1
通讯作者	张东辉
中文摘要	i will talk about some of our recent work on accurate quantum reactive scattering study of chemical reactions on new accurate ab initio potential energy surfaces. i will begin by showing detailed quantum dynamics results for the f+h2/hd reactions in close comparison with available experiments, in particular with the very new experiments from xueming yang''s lab. i will then present the eight dimensional quantum dynamics results for the h+ch4 reaction. in this study, we only restrict the non-reacting ch3 group under c3v symmetry. the role of the first symmetric and asymmetric stretch excitations of ch4 on the reaction dynamics will be discussed. if time permits, i will also show some preliminary quantum dynamics results for the cl+ch4 reaction.
会议主办者	美国加州sandia国家实验室
学科主题	物理化学
语种	中文
内容类型	会议论文
源URL	[http://159.226.238.44/handle/321008/112516]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
推荐引用方式 GB/T 7714	Zhang DH. Accurate quantum reactive scattering studies of chemical reactions on ab initio potential energy surface, 基于从头算势能面的化学反应动力学的精确量子反应散射研究[C]. 见:xxi conference on the dynamics of molecular collisions. 美国. 2007-7-8.

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